Chemical ID: 6623640

COC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)OC
Chemical ID:
6623640
Name [?]:
dimethyl 1-benzylpyrazole-3,5-dicarboxylate
SMILES [?]:
COC(=O)c1cc(n(n1)Cc2ccccc2)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H14N2O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.50983
Area:464.727
Solvation:-3.10835
Coulombic:-46.8271
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:274.272
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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